![2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid structure](/static/products/7048/704875-04-7.webp)
2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid
TL;DR: 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid (CAS 704875-04-7) is a chemical compound with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]propanoic acid
Also Known As: ChemDiv2_005047, CBKinase1_007142, CBKinase1_019542, BAS 07567493, 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid
| Molecular Formula | C13H14N4O2S |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 2.2691 |
| Topological Polar Surface Area | 72.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.08374 |
| Heavy Atoms | 20 |
| Complexity | 792.2171 |
Chemical Identifiers
| CAS Number | 704875-04-7 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2N3C1=NN=C3SC(C)C(=O)O |
Product Overview
2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid (CAS 704875-04-7), with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol. IUPAC: 2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid
Property Insights of 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid
The XLogP value of 2.2691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid. The TPSA of 72.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid. Following Lipinski's Rule of Five, 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid?
The CAS number of 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid is 704875-04-7.
What is the molecular formula of 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid?
The molecular formula of 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid is C13H14N4O2S.
What is the molecular weight of 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid?
The molecular weight of 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid is 290.08 g/mol.
Where can I buy 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid?
You can request a quote for 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(9-Ethyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)thio]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.